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CAS 327048-86-2 Androstene-3,17-dione-2,3,4-13C3 molecular structure lightbox
CAS RN: 327048-86-2

Androstene-3,17-dione-2,3,4-13C3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1ml Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS327048-86-2
  • Purity/Analytical Methods: >99.0%
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327048-86-2 / (8R,9S,10R,13S,14S)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Standard CAS: 327048-86-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
327048-86-2
Multi CAS
No
Molecular Formula
C19H26O2
Molecular Weight
289.390000
Exact Mass
289.203345
InChI
InChI=1S/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3/t14-,15-,16-,18-,19-/m0/s1/i7+1,11+1,13+1
InChIKey
AEMFNILZOJDQLW-FZIFMXJCSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.79
H-bond acceptors
2
Molar refractivity
81.72
TPSA
34.14

LogP / Solubility

WLOGP
4.09
MLOGP
3.61
XLogP3
2.7
Consensus LogP
3.47
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.57

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5

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